element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:22       -7.874121        1.2554
BFGS:    1 17:55:22       -7.935482        1.0180
BFGS:    2 17:55:22       -8.024895        0.1213
BFGS:    3 17:55:22       -8.025939        0.0189
BFGS:    4 17:55:22       -8.025965        0.0002
BFGS:    5 17:55:22       -8.025965        0.0000
BFGS:    6 17:55:23       -8.025965        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6246295028990803e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.85531245494312, -7.677701564247454e-33, -2.8375904889469197e-33], [-8.906136139480381e-33, 2.85531245494312, -2.6529486502381775e-20], [-3.2844019036450254e-33, -2.652948650242765e-20, 2.85531245494312]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.62462950e-13 -2.62462950e-13 -2.62462950e-13 -4.82670532e-30
 -1.16380115e-61 -2.14863722e-61]
energy per atom =  -4.012982306450954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0